4-(2-hydroxyphenyl)sulfonylbutanoic acid

C10H12O5S — CID 84704454

IUPAC4-(2-hydroxyphenyl)sulfonylbutanoic acid
SMILESO=C(O)CCCS(=O)(=O)c1ccccc1O
InChIInChI=1S/C10H12O5S/c11-8-4-1-2-5-9(8)16(14,15)7-3-6-10(12)13/h1-2,4-5,11H,3,6-7H2,(H,12,13)
InChIKeyOYVRZMZBOGJSEE-UHFFFAOYSA-N
MW244.27 g/mol
LogP1.03
Rot. Bonds5

About 4-(2-hydroxyphenyl)sulfonylbutanoic acid

4-(2-hydroxyphenyl)sulfonylbutanoic acid (PubChem CID 84704454) has the molecular formula C10H12O5S and a molecular weight of 244.27 g/mol. Its IUPAC name is 4-(2-hydroxyphenyl)sulfonylbutanoic acid.

Molecular Properties

Compound Name4-(2-hydroxyphenyl)sulfonylbutanoic acid
PubChem CID84704454
Molecular FormulaC10H12O5S
Molecular Weight244.27 g/mol
Exact Mass244.04
IUPAC Name4-(2-hydroxyphenyl)sulfonylbutanoic acid
SMILESO=C(O)CCCS(=O)(=O)c1ccccc1O
InChIInChI=1S/C10H12O5S/c11-8-4-1-2-5-9(8)16(14,15)7-3-6-10(12)13/h1-2,4-5,11H,3,6-7H2,(H,12,13)
InChIKeyOYVRZMZBOGJSEE-UHFFFAOYSA-N
XLogP1.03
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyphenyl)sulfonylbutanoic acid?
The IUPAC name of 4-(2-hydroxyphenyl)sulfonylbutanoic acid (CID 84704454) is 4-(2-hydroxyphenyl)sulfonylbutanoic acid.
What is the SMILES notation for 4-(2-hydroxyphenyl)sulfonylbutanoic acid?
The canonical SMILES for 4-(2-hydroxyphenyl)sulfonylbutanoic acid is O=C(O)CCCS(=O)(=O)c1ccccc1O.
What is the InChIKey of 4-(2-hydroxyphenyl)sulfonylbutanoic acid?
The InChIKey is OYVRZMZBOGJSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O5S/c11-8-4-1-2-5-9(8)16(14,15)7-3-6-10(12)13/h1-2,4-5,11H,3,6-7H2,(H,12,13).
What are the key properties of 4-(2-hydroxyphenyl)sulfonylbutanoic acid?
4-(2-hydroxyphenyl)sulfonylbutanoic acid has a molecular weight of 244.27 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyphenyl)sulfonylbutanoic acid is sourced from PubChem (CID 84704454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).